Compound Detail
CHEMBL446641
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Basic Information
| ChEMBL ID | CHEMBL446641 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BCTWYIGYLPUAMS-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
228.3
MW (Da)
3.08
ALogP
3
HBA
0
HBD
27.7
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 7.21 | 7.185 | 62.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 62.0 | nM | 7.21 | Antimalarial activity as reduced parasitaemia after 72 hrs against chloroquine-r... | 18993067 |
| Plasmodium falciparum | EC50 | = | 69.0 | nM | 7.16 | Antimalarial activity as reduced parasitaemia after 72 hrs against chloroquine-s... | 18993067 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18993067 | 10.1016/j.bmcl.2008.10.083 | Plasmodium falciparum | 2 |
| 18993067 | 10.1016/j.bmcl.2008.10.083 | Heme | 1 |
Data from ChEMBL 36 via Core Engine